1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride

C13H27ClN2O2 — CID 120607801

IUPAC1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride
SMILESCCOC1CC(N)(C(=O)N(C)C(C)C)C1(C)C.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-7-17-10-8-13(14,12(10,4)5)11(16)15(6)9(2)3;/h9-10H,7-8,14H2,1-6H3;1H
InChIKeyAERVUKNNDQSFLC-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.81
Rot. Bonds4

About 1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride

1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride (PubChem CID 120607801) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride
PubChem CID120607801
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride
SMILESCCOC1CC(N)(C(=O)N(C)C(C)C)C1(C)C.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-7-17-10-8-13(14,12(10,4)5)11(16)15(6)9(2)3;/h9-10H,7-8,14H2,1-6H3;1H
InChIKeyAERVUKNNDQSFLC-UHFFFAOYSA-N
XLogP1.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-ethoxy-N-ethyl-N,2,2-trimethylcyclobutane-1-carboxamide
CID 114828043
1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide
CID 114828939
1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-yl-N-prop-2-enylcyclobutane-1-carboxamide
CID 114828666
trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 97300458
1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827911
cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride
CID 138991439
1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 114827756
1-amino-3-ethoxy-N-(2-hydroxyethyl)-2,2-dimethyl-N-propylcyclobutane-1-carboxamide
CID 114828620
1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide
CID 105055949
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide
CID 107219003
1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 114828630

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride (CID 120607801) is 1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride is CCOC1CC(N)(C(=O)N(C)C(C)C)C1(C)C.Cl.
What is the InChIKey of 1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride?
The InChIKey is AERVUKNNDQSFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-7-17-10-8-13(14,12(10,4)5)11(16)15(6)9(2)3;/h9-10H,7-8,14H2,1-6H3;1H.
What are the key properties of 1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride?
1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120607801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).